Basic information
- Standard SMILES
C=CCOC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)C(C)C)C(=O)OCc1ccccc1- InChIKey
DYYUXBOEVLVSST-GCRSFRQPSA-N- Molecular formula
- C39H56N6O9S
- Average molar mass
- 785 g/mol
- Monoisotopic mass
- 784.38294856
Names & identifiers
- Preferred name
- Arg(Pmc)-Val-Asp(OAllyl)-OBzl
- IUPAC
- 1-O-benzyl 4-O-prop-2-enyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanoyl]amino]-3-methylbutanoyl]amino]butanedioate
Names & synonyms
Arg(Pmc)-Val-Asp(OAllyl)-OBzlDYYUXBOEVLVSST-GCRSFRQPSA-N
Database identifiers
- PubChem CID
- 131723907
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 21
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,460
Related reactions
1 records
Compound notes
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